{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000891","ANALYSIS_ID":"AN001453","VERSION":"1","CREATED_ON":"November 9, 2017, 9:40 am"},

"PROJECT":{"PROJECT_TITLE":"Comparison of 1d NOESY presat and optimized PURGE for urine analysis","PROJECT_TYPE":"NMR pulse sequence comparison with biological samples","PROJECT_SUMMARY":"The pulse sequence commonly used for NMR metabolomics, 1D NOESY presat, and an optimized PURGE pulse sequence, are compared with 10 urine samples.These 10 urine samples came from quality control pooled Mormon women urine (OH2050F) and were frozed at -80°C before analysis. All 10 samples were technical replicate, coming from the same pool and sumitted to the same treatment before NMR analysis.","INSTITUTE":"University of Georgia","DEPARTMENT":"Complex Carbohydrates Research Center","LABORATORY":"Complex Carbohydrates Research Center","LAST_NAME":"Edison","FIRST_NAME":"Arthur","ADDRESS":"315 Riverbend Road 30602 Athens GA","EMAIL":"aedison@uga.edu","PHONE":"+1-706-542-8156"},

"STUDY":{"STUDY_TITLE":"NMR comparison of urine samples by 1D NOESY presat and PURGE","STUDY_TYPE":"NMR development for metabolomics","STUDY_SUMMARY":"Different water suppression pulse sequences, namely 1D NOESY presat and optimized PURGE were compared for urine samples. The original PURGE sequence was also tested to show the postential for lineshape distortions with the pulse sequence.","INSTITUTE":"University of Georgia","DEPARTMENT":"Complex Carbohydrates Research Center","LABORATORY":"Complex Carbohydrates Research Center","LAST_NAME":"Edison","FIRST_NAME":"Arthur","ADDRESS":"315 Riverbend Road 30602 Athens GA","EMAIL":"aedison@uga.edu","PHONE":"+1-706-542-8156","NUM_GROUPS":"1","TOTAL_SUBJECTS":"10"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"UR41",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR42",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR43",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR44",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR45",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR46",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR47",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR48",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR49",
"Factors":{"SampleType":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"UR50",
"Factors":{"SampleType":"Urine"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"N/A"},

"TREATMENT":{"TREATMENT_SUMMARY":"N/A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Mixing 540 ?L of urine with 60 ?L D2O potassium buffer + DSS","EXTRACT_STORAGE":"-80 C"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"ACQUISITION_PARAMETERS_FILE":"urine-paper-160923/NOESYPR1D | urine-paper-160923/PURGE_OPTIMIZED | urine-paper-160923/NOESYGPPR1D | urine-paper-160923/PURGE Raw File(s) (filename or directory) | urine-paper-160923/NOESYPR1D | urine-paper-160923/PURGE_OPTIMIZED | urine-paper-160923/NOESYGPPR1D | urine-paper-160923/PURGE","ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Bruker Avance III","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","NMR_COMMENTS":"4 spectra per sample: the first is the noesypr1d, then an optimized version of PURGE, then noesygppr1d, and finally the original PURGE (called zgpurge by Bruker)","FIELD_FREQUENCY_LOCK":"2824.58 Hz","SPECTROMETER_FREQUENCY":"600 MHz","NMR_PROBE":"TCI 600 H-C/N-D","NMR_SOLVENT":"H2O+D2O (90/10) potassium buffer","NMR_TUBE_SIZE":"5 mm","SHIMMING_METHOD":"Topshim","PULSE_SEQUENCE":"noesypr1d","WATER_SUPPRESSION":"Presaturation","PULSE_WIDTH":"19.94 ?L","POWER_LEVEL":"5.5584 W","RECEIVER_GAIN":"90.5","OFFSET_FREQUENCY":"2824.58 Hz","PRESATURATION_POWER_LEVEL":"0.000088411 W","CHEMICAL_SHIFT_REF_CPD":"TSP","TEMPERATURE":"300 K","NUMBER_OF_SCANS":"32","DUMMY_SCANS":"4","ACQUISITION_TIME":"2.726","RELAXATION_DELAY":"4 s","SPECTRAL_WIDTH":"20.03 ppm","NUM_DATA_POINTS_ACQUIRED":"65536","REAL_DATA_POINTS":"32768","LINE_BROADENING":"0.3 Hz","ZERO_FILLING":"131072","APODIZATION":"Gaussian","BASELINE_CORRECTION_METHOD":"Polynomial order 2","CHEMICAL_SHIFT_REF_STD":"DSS"}

}